Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVEQKDKYRPCVGIMLFNKQGHVFIGKRFDSDSYWQMPQGGIDDGEKLEQAALRELLEEVGTDK--AKIIAKNKDWIYYNLPEEVI-----PTCWNGRYSGQKQRWFLMKFYGEGKDININYTDHPEFKEWRWQSVDNLVAGAIPFKKEVYKTVIEEFSSQIKVSIIK
4S2V Chain:A ((6-156))
-----DGYRPNVGIVICNRQGQVMWARRFGQHS-WQFPQGGINPGESAEQAMYRELFEEVGLSRKDVRILASTRNWLRYKLPKRLVRWDTKPVC-----IGQKQKWFLLQLV------------------WRWVSYWYPVRQVVSFKRDVYRRVMKEFASVVM-----
General information:
TITO was launched using:
RESULT:
Template:
4S2V.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -67171 for 886 contacts (-75.8/contact) +
2D Compatibility (PS) -13318 + (NN) -4188 + (LL) 1884
1D Compatibility (HY) -16000 + (ID) 3050
Total energy: -101843.0 ( -114.95 by residue)
QMean score : 0.529
(partial model without unconserved sides chains):
PDB file :
Tito_4S2V.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4S2V-query.scw
PDB file :
Tito_Scwrl_4S2V.pdb
: